N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide

C12H20N2O2 — CID 7068853

IUPACN-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)[C@H]1CC=C(C)/C(=N/O)C1
InChIInChI=1S/C12H20N2O2/c1-8-5-6-10(7-11(8)14-16)12(3,4)13-9(2)15/h5,10,16H,6-7H2,1-4H3,(H,13,15)/b14-11+/t10-/m0/s1
InChIKeyJIQLBNCILJHELB-AYDSOBSRSA-N
MW224.30 g/mol
LogP2.09
Rot. Bonds2

About N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide

N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide (PubChem CID 7068853) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide
PubChem CID7068853
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)[C@H]1CC=C(C)/C(=N/O)C1
InChIInChI=1S/C12H20N2O2/c1-8-5-6-10(7-11(8)14-16)12(3,4)13-9(2)15/h5,10,16H,6-7H2,1-4H3,(H,13,15)/b14-11+/t10-/m0/s1
InChIKeyJIQLBNCILJHELB-AYDSOBSRSA-N
XLogP2.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide (CID 7068853) is N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)[C@H]1CC=C(C)/C(=N/O)C1.
What is the InChIKey of N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide?
The InChIKey is JIQLBNCILJHELB-AYDSOBSRSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-5-6-10(7-11(8)14-16)12(3,4)13-9(2)15/h5,10,16H,6-7H2,1-4H3,(H,13,15)/b14-11+/t10-/m0/s1.
What are the key properties of N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide?
N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide has a molecular weight of 224.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,5E)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 7068853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).